![4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde structure](/static/products/1007/100727-39-7.webp)
4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
TL;DR: 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde (CAS 100727-39-7) is a chemical compound with molecular formula C13H11NO2S2 and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Also Known As: 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde, 4-[(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]BENZALDEHYDE
| Molecular Formula | C13H11NO2S2 |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.02313 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 100727-39-7 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC=C(C=C2)C=O)SC1=S |
| InChIKey | YBNKADUMLCYNBY-UHFFFAOYSA-N |
Product Overview
4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde (CAS 100727-39-7), with molecular formula C13H11NO2S2 and molecular weight 277.02 g/mol. IUPAC: 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde.
Chemical Property Profile of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Property Insights of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde. Following Lipinski's Rule of Five, 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
The CAS number of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is 100727-39-7.
What is the molecular formula of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
The molecular formula of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is C13H11NO2S2.
What is the molecular weight of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
The molecular weight of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is 277.02 g/mol.
Where can I buy 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
You can request a quote for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.